AntibioticMech

butoconazole nitrate

CHEBI:3241 ·resolve ·ANTIFUNGAL ·EXACT SEEDED

An organic nitrate salt obtained by reaction of equimolar amounts of butaconazole and nitric acid. An antifungal agent, it is used in gynaecology for treatment of vulvovaginal infections caused by Candida species, particularly Candida albicans. — ChEBI

Classification

Strictly broader compounds or drug classes this molecule belongs to.

• CHEBI:24780 CHEBI:24780
• CHEBI:35683 CHEBI:35683
• CHEBI:51085 CHEBI:51085
• CHEBI:87069 CHEBI:87069
• CHEBI:87071 CHEBI:87071

Chemical structure

Computed structure properties

Molecular formula	C19H17Cl3N2S.HNO3
Charge	0
Average mass	474.797 Da
Monoisotopic mass	473.01345 Da
Source	ChEBI
InChIKey	ZHPWRQIPPNZNML-UHFFFAOYSA-N

SMILES

Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1.O=[N+]([O-])O

InChI

InChI=1S/C19H17Cl3N2S.HNO3/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22;2-1(3)4/h1-5,7-8,10-11,13,16H,6,9,12H2;(H,2,3,4)

Also called

• 1-{4-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)sulfanyl]butyl}-1H-imidazole nitrate (EXACT_SYNONYM)— chebi
• (±)-1-(4-(4-chlorophenyl)-2-((2,6-dichlorophenyl)thio)butyl)-1H-imidazole mononitrate (EXACT_SYNONYM)— chebi
• (±)-1-(4-(p-chlorophenyl)-2-((2,6-dichlorophenyl)thio)butyl)imidazole mononitrate (EXACT_SYNONYM)— chebi
• Butoconazole nitrate (EXACT_SYNONYM)— chebi
• nitrato de butoconazol (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

• beilstein:6366645
• cas:64872-77-1
• drugbank:DB00639
• kegg.compound:C08066
• kegg.drug:D00880

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

• CHEBI:35718 CHEBI:35718
• CHEBI:86327 CHEBI:86327

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record

Source	Native ID	Label	Minted CURIE	Version
CHEBI	CHEBI:3241	butoconazole nitrate	antibioticmech:chebi-1b7d048211	2026-08-30

Mechanism summary

Mode of action

ERGOSTEROL_PATHWAY_INHIBITION host shared target — Assigned from ChEBI role CHEBI:75282 (ergosterol biosynthesis inhibitor). ChEBI asserts the role on the compound. The target it names is one the host has too, so the mechanism is true but is not evidence of selectivity — see mode_of_action_target_scope. Not a curator's mechanistic review.

Clinical status

APPROVED

Curation history

1. SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Seeded from data/raw/ inventories (CHEBI)

2. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Re-seeded from updated data/raw/ inventories

3. RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources

   Re-seeded from updated data/raw/ inventories

4. RESEEDED_FROM_SOURCES 2026-08-31 · seed_from_sources

   Re-seeded from updated data/raw/ inventories

5. RESEEDED_FROM_SOURCES 2026-08-31 · seed_from_sources

   Re-seeded from updated data/raw/ inventories

6. RESEEDED_FROM_SOURCES 2026-08-31 · seed_from_sources

   Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.